Computational screening of databases has become increasingly popular in the
pharmaceutical research. Virtual screening uses computer based methods to discover new …

Computational screening of compound databases has become increasingly popular in
pharmaceutical research. Virtual screening approaches can roughly be divided into target …

Virtual (database) screening (VS) of molecules promises to accelerate the discovery of new
drugs and reduce costs by identifying molecules with high probabilities of binding to a target …

Virtual screening by molecular docking has become a widely used approach to lead
discovery in the pharmaceutical industry when a high-resolution structure of the biological …

There are several methods for virtual screening of databases of small organic compounds to
find tight binders to a given protein target. Recent reviews in Drug Discovery Today have …

BEAR (binding estimation after refinement) is a new virtual screening technology based on
the conformational refinement of docking poses through molecular dynamics and prediction …

Virtual screening emerged as an important tool in our quest to access novel drug like
compounds. There are a wide range of comparable and contrasting methodological …

Structure based virtual ligand screening (SBVLS) methods are widely used in drug
discovery programs. When several structures of the target are available, protocols based …

Ligand-protein docking is one of the most common techniques used in virtual screening
campaigns. Despite the large number of docking software available, there is still the need of …

The computational approach for new drug design and/or identification, was initially
proposed in mid 70's. The virtual screening of chemical libraries against a biological target …